Geometry & MOs

Info

ID:	28454
PubChem CID:	827713
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	5.7
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-(4-ethoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations